Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075677
Preview
| Coordinates | 4075677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H52 P2 Pt |
|---|---|
| Calculated formula | C71 H52 P2 Pt |
| SMILES | [Pt]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1cc(ccc1C#Cc1ccccc1C#Cc1ccc(cc1C#C2)C(C)(C)C)C(C)(C)C.C1CCCC1.CCCCCC |
| Title of publication | Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes |
| Authors of publication | Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1161 |
| a | 16.672 ± 0.003 Å |
| b | 14.112 ± 0.003 Å |
| c | 25.808 ± 0.005 Å |
| α | 90° |
| β | 101.914 ± 0.004° |
| γ | 90° |
| Cell volume | 5941 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2169 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.2211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.